Receptor
PDB id Resolution Class Description Source Keywords
1FK7 1.9 Å NON-ENZYME: TRANSPORT STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPI PROTEIN COMPLEXES WITH RICINOLEIC ACID REVEALED BY HIGH-RESR AY CRYSTALLOGRAPHY ZEA MAYS PROTEIN-LIPID COMPLEX LIPID TRANSPORT
Ref.: STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN M LIPID-TRANSFER PROTEIN COMPLEXES REVEALED BY HIGH-R X-RAY CRYSTALLOGRAPHY. J.MOL.BIOL. V. 308 263 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:304;
 Invalid;
 none;
 submit data
46.025 C H2 O2 C(=O)...
RCL A:201;
 Valid;
 none;
 submit data
298.461 C18 H34 O3 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FK5 1.3 Å NON-ENZYME: TRANSPORT STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH OLEIC ACID REVEALED B Y HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY ZEA MAYS PROTEIN-LIPID COMPLEX LIPID TRANSPORT
Ref.: STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY. J.MOL.BIOL. V. 308 263 2001
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
2 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
3 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
4 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
5 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
6 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
7 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
8 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
9 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 6IWP - MYR C14 H28 O2 CCCCCCCCCC....
16 5TVI - O8N C28 H58 O CCCCCCCCCC....
17 6IWN - MYR C14 H28 O2 CCCCCCCCCC....
18 6IWO - MYR C14 H28 O2 CCCCCCCCCC....
19 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
20 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RCL; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 RCL 1 1
2 OLA 0.625 0.88
3 VCA 0.625 0.88
4 PAM 0.625 0.88
5 NER 0.625 0.88
6 ELA 0.625 0.88
7 MYZ 0.571429 0.84
8 EIC 0.537037 0.846154
9 ODD 0.5 0.846154
10 243 0.5 0.961538
11 T25 0.476923 0.75
12 DAO 0.468085 0.84
13 MYR 0.468085 0.84
14 KNA 0.468085 0.84
15 EW8 0.468085 0.84
16 PLM 0.468085 0.84
17 DCR 0.468085 0.84
18 11A 0.468085 0.84
19 F23 0.468085 0.84
20 DKA 0.468085 0.84
21 TDA 0.468085 0.84
22 X90 0.468085 0.84
23 STE 0.468085 0.84
24 F15 0.468085 0.84
25 LNL 0.465517 0.769231
26 T24 0.454545 0.884615
27 OLB 0.453125 0.705882
28 OLC 0.453125 0.705882
29 MVC 0.453125 0.705882
30 OCA 0.446809 0.84
31 10X 0.4375 0.6875
32 10Y 0.4375 0.6875
33 EAH 0.434783 0.961538
34 SHV 0.425532 0.8
35 ODT 0.423729 0.730769
36 M12 0.423077 0.740741
37 78M 0.415385 0.705882
38 78N 0.415385 0.705882
39 KTC 0.415094 0.884615
40 HXD 0.4 0.888889
41 BMJ 0.4 0.807692
42 D0G 0.4 0.807692
43 1WV 0.4 0.705882
44 BNV 0.4 0.807692
45 FTT 0.4 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: RCL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FK5; Ligand: OLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1fk5.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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